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1-FLUORO-2-OXOPENTANE-1,5-BISPHOSPHONIC-ACID-TETRASODIUM-SALT

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1-FLUORO-2-OXOPENTANE-1,5-BISPHOSPHONIC-ACID-TETRASODIUM-SALT
SpectraBase Compound ID 3aiHjc47wil
InChI InChI=1S/2C5H11FO7P2.8Na/c2*6-5(15(11,12)13)4(7)2-1-3-14(8,9)10;;;;;;;;/h2*5H,1-3H2,(H2,8,9,10)(H2,11,12,13);;;;;;;;/q;;8*+1/p-8
InChIKey PXDGBEPKMZLKMF-UHFFFAOYSA-F
Mol Weight 704.01800858 g/mol
Molecular Formula C10H14F2Na8O14P4
Exact Mass 703.848364 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICIdgttBpoj
Name 1-FLUORO-2-OXOPENTANE-1,5-BISPHOSPHONIC-ACID-TETRASODIUM-SALT
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14F2Na8O14P4
InChI InChI=1S/2C5H11FO7P2.8Na/c2*6-5(15(11,12)13)4(7)2-1-3-14(8,9)10;;;;;;;;/h2*5H,1-3H2,(H2,8,9,10)(H2,11,12,13);;;;;;;;/q;;8*+1/p-8
InChIKey PXDGBEPKMZLKMF-UHFFFAOYSA-F
Literature Reference Author S.LADAME,M.BARDET,J.PERIE,M.WILLSON
Literature Reference Citation BIOORG.MED.CHEM.,9,773(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00295-9
Solvent D2O
Source File Reference UWLU21899